0 mol 8 unq 0 iso 0 dist 8.96553 8.53529 4.36226 8.79272 11.2076 7.27018 12.536 7.12261 4.1204 8.83742 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.62879 7.18019 4.36226 7.17012 11.2076 7.27018 9.01112 7.12261 4.1204 8.83742 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 11.1124 11.1214 6.2004 15.4457 13.0212 6.86136 6.01284 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.86014 9.41441 6.66749 11.1124 11.1214 6.2004 16.277 11.7374 7.31321 9.45579 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.86116 9.41441 14.012 11.1124 18.2639 6.2004 15.4457 20.7962 6.86136 6.01284 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.86116 9.41441 14.012 11.1124 18.2639 6.2004 16.277 20.4222 7.31321 9.45579 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.54419 6.73939 12.176 10.2913 15.5937 6.2004 10.4441 15.2259 6.86136 6.01284 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.54419 6.73939 12.176 10.2913 15.5937 6.2004 12.0106 16.6278 7.31321 9.45579 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 10.4524 14.62 6.62229 12.8149 13.5805 5.45005 6.87028 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.62496 8.80614 9.95364 10.4524 14.6584 6.62229 12.8149 14.8349 5.45005 6.87028 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 6.35756 8.80614 5.49591 10.4524 10.9864 6.62229 12.8149 10.0669 5.45005 6.87028 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.08437 6.7117 7.06961 7.32662 7.26086 8.43352 5.10496 3.9764 3.94967 8.75597 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 6.10456 4.47349 7.06961 6.934 7.26086 8.43352 5.2571 3.9764 3.94967 8.75597 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 7.5732 6.84011 7.436 11.177 15.5985 9.17466 10.2365 11.3271 4.08391 7.59156 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 8.73993 6.52773 7.20179 3.78311 7.77116 8.8562 12.31 6.9194 12.8661 9.6121 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 8.73993 6.52773 7.20179 3.78311 7.77116 8.8562 7.64052 9.68677 5.37917 9.57341 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 8.73993 9.23858 9.89358 3.78311 7.77116 7.91683 12.31 6.9194 13.3563 9.6121 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 8.73993 9.23858 9.89358 3.78311 7.77116 7.91683 7.64052 9.68677 15.7711 9.57341 numMergedOcc 0
18 mol 119 unq 4 iso 0 dist 9.87172 9.11344 10.9441 4.99056 13.1741 8.8562 11.2897 12.4621 12.8661 9.6121 numMergedOcc 0
19 mol 119 unq 5 iso 0 dist 9.87172 9.11344 10.9441 4.99056 13.1741 8.8562 6.99446 6.20019 5.37917 9.57341 numMergedOcc 0
20 mol 126 unq 0 iso 0 dist 6.06638 6.30546 6.0268 5.5703 9.46588 5.94233 11.4624 10.7549 5.50104 8.66815 numMergedOcc 0
21 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 14.206 13.2004 9.13191 14.3291 10.6479 6.39648 8.24966 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 8.40312 9.90168 7.7567 9.32969 11.4206 8.50562 14.4508 12.6525 10.9311 6.78801 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 7.12972 9.90168 8.23791 9.32969 6.92648 8.50562 14.4508 8.57203 10.9311 6.78801 numMergedOcc 0
24 mol 131 unq 2 iso 0 dist 6.85062 9.90168 13.7237 9.32969 9.29384 8.50562 14.4508 12.6005 10.9311 6.78801 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 13.1292 13.6079 9.30061 16.7922 20.5684 16.1483 8.48313 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 9.89303 7.69991 4.60632 13.1292 13.6079 9.30061 12.4385 15.5729 11.5269 6.99345 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 9.89303 7.69991 4.60632 13.1292 13.6079 9.30061 11.2896 10.6898 6.93712 5.11043 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 6.54501 7.69991 5.71679 13.1292 13.846 9.30061 16.7922 20.1682 16.1483 8.48313 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 6.54501 7.69991 5.71679 13.1292 13.846 9.30061 12.4385 15.9138 11.5269 6.99345 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 6.54501 7.69991 5.71679 13.1292 13.846 9.30061 11.2896 12.3479 6.93712 5.11043 numMergedOcc 0
31 mol 134 unq 6 iso 0 dist 8.94367 6.23142 4.57832 9.4027 8.20836 9.30061 14.3561 16.4114 16.1483 8.48313 numMergedOcc 0
32 mol 134 unq 7 iso 0 dist 8.94367 6.23142 4.57832 9.4027 8.20836 9.30061 11.0808 12.8086 11.5269 6.99345 numMergedOcc 0
33 mol 134 unq 8 iso 0 dist 8.94367 6.23142 4.57832 9.4027 8.20836 9.30061 9.33094 7.41373 6.93712 5.11043 numMergedOcc 0
34 mol 134 unq 9 iso 0 dist 6.37586 6.23142 5.29786 9.4027 10.873 9.30061 14.3561 18.3331 16.1483 8.48313 numMergedOcc 0
35 mol 134 unq 10 iso 0 dist 6.37586 6.23142 5.29786 9.4027 10.873 9.30061 11.0808 15.0225 11.5269 6.99345 numMergedOcc 0
36 mol 134 unq 11 iso 0 dist 6.37586 6.23142 5.29786 9.4027 10.873 9.30061 9.33094 10.8635 6.93712 5.11043 numMergedOcc 0
37 mol 134 unq 12 iso 0 dist 6.49416 6.23142 5.71679 9.4027 13.846 9.30061 14.3561 20.1682 16.1483 8.48313 numMergedOcc 0
38 mol 134 unq 13 iso 0 dist 6.49416 6.23142 5.71679 9.4027 13.846 9.30061 11.0808 15.9138 11.5269 6.99345 numMergedOcc 0
39 mol 134 unq 14 iso 0 dist 6.49416 6.23142 5.71679 9.4027 13.846 9.30061 9.33094 12.3479 6.93712 5.11043 numMergedOcc 0
40 mol 134 unq 15 iso 0 dist 9.86662 9.94764 4.57832 5.12325 8.20836 9.30061 9.71716 16.4114 16.1483 8.48313 numMergedOcc 0
41 mol 134 unq 16 iso 0 dist 9.86662 9.94764 4.57832 5.12325 8.20836 9.30061 9.1998 12.8086 11.5269 6.99345 numMergedOcc 0
42 mol 134 unq 17 iso 0 dist 9.86662 9.94764 4.57832 5.12325 8.20836 9.30061 8.69531 7.41373 6.93712 5.11043 numMergedOcc 0
43 mol 134 unq 18 iso 0 dist 9.71307 9.94764 5.29786 5.12325 10.873 9.30061 9.71716 18.3331 16.1483 8.48313 numMergedOcc 0
44 mol 134 unq 19 iso 0 dist 9.71307 9.94764 5.29786 5.12325 10.873 9.30061 9.1998 15.0225 11.5269 6.99345 numMergedOcc 0
45 mol 134 unq 20 iso 0 dist 9.71307 9.94764 5.29786 5.12325 10.873 9.30061 8.69531 10.8635 6.93712 5.11043 numMergedOcc 0
46 mol 222 unq 0 iso 0 dist 6.00706 9.07471 7.75466 6.42798 7.862 9.08955 6.74196 8.84507 4.67663 7.97027 numMergedOcc 0
47 mol 222 unq 1 iso 0 dist 6.00706 9.07471 7.75466 6.42798 7.862 9.08955 11.4707 8.67203 9.32357 6.81955 numMergedOcc 0
48 mol 222 unq 2 iso 0 dist 6.00706 9.07471 7.75466 6.42798 7.862 9.08955 8.36842 6.02502 6.37382 4.9876 numMergedOcc 0
49 mol 222 unq 3 iso 0 dist 7.54212 9.07471 13.3447 6.42798 12.5287 9.08955 6.74196 12.8595 4.67663 7.97027 numMergedOcc 0
50 mol 222 unq 4 iso 0 dist 7.54212 9.07471 13.3447 6.42798 12.5287 9.08955 11.4707 15.1121 9.32357 6.81955 numMergedOcc 0
51 mol 222 unq 5 iso 0 dist 7.54212 9.07471 13.3447 6.42798 12.5287 9.08955 8.36842 12.5866 6.37382 4.9876 numMergedOcc 0
